Geometry & MOs

Info

ID:	394745
PubChem CID:	135023673
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-99.8
Dipole, Da:	3.38
IP(EA), eV:	-9.57(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,3S)-2,4-dimethyl-1-oxo-1-phenylpentan-3-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H]([C@H](C(C)C)NC(=O)OCC1=CC=CC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations